N-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide

C13H9BrClIN2O — CID 114050472

IUPACN-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide
SMILESCc1cc(NC(=O)c2ccc(I)c(Cl)c2)cnc1Br
InChIInChI=1S/C13H9BrClIN2O/c1-7-4-9(6-17-12(7)14)18-13(19)8-2-3-11(16)10(15)5-8/h2-6H,1H3,(H,18,19)
InChIKeyLYLKBMUCHMVGJO-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.66
Rot. Bonds2

About N-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide

N-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide (PubChem CID 114050472) has the molecular formula C13H9BrClIN2O and a molecular weight of 451.49 g/mol. Its IUPAC name is N-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide.

Molecular Properties

Compound NameN-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide
PubChem CID114050472
Molecular FormulaC13H9BrClIN2O
Molecular Weight451.49 g/mol
Exact Mass449.86
IUPAC NameN-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide
SMILESCc1cc(NC(=O)c2ccc(I)c(Cl)c2)cnc1Br
InChIInChI=1S/C13H9BrClIN2O/c1-7-4-9(6-17-12(7)14)18-13(19)8-2-3-11(16)10(15)5-8/h2-6H,1H3,(H,18,19)
InChIKeyLYLKBMUCHMVGJO-UHFFFAOYSA-N
XLogP4.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide
CID 114051737
N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
CID 114050552
N-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide
CID 113383975
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 114049068
3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide
CID 103734986
N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide
CID 103218765
N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218767
3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
CID 113251749
3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide
CID 113253959
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide
CID 103828130
3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide
CID 103222262

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide?
The IUPAC name of N-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide (CID 114050472) is N-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide.
What is the SMILES notation for N-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide?
The canonical SMILES for N-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide is Cc1cc(NC(=O)c2ccc(I)c(Cl)c2)cnc1Br.
What is the InChIKey of N-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide?
The InChIKey is LYLKBMUCHMVGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClIN2O/c1-7-4-9(6-17-12(7)14)18-13(19)8-2-3-11(16)10(15)5-8/h2-6H,1H3,(H,18,19).
What are the key properties of N-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide?
N-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide has a molecular weight of 451.49 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide is sourced from PubChem (CID 114050472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).